(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-21-Hydroxy-12,20-Dimethoxy-2,5,9,16-Tetramethyl-8,23-Dioxo-4,24-Dioxa-9,22-Diazatetracyclo[19.3.1.1~10,14~.0~3,5~]Hexacosa-10(26),11,13,16,18-Pentaen-6-Yl (2S)-2-[Methyl(3-Sulfanylpropanoyl)Amino]Propanoate (Non-Preferred Name)

Molecule SVG Image

Properties Simple | Detailed

Formula C35H48ClN3O10S
IUPAC Name mertansine
Molecular Mass 738.288 g·mol−1
Heat of Formation -1734.4 ± 16.7 kJ·mol−1
Dipole Moment 11.14 ± 1.08 D
Volume 865.21 Å 3
Surface Area 567.45 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey ANZJBCHSOXCCRQ-FKUXLPTCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S